piperidin-2-yl-(5-propoxy-3-pyridinyl)methanone

C14H20N2O2 — CID 116547773

IUPACpiperidin-2-yl-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)C2CCCCN2)c1
InChIInChI=1S/C14H20N2O2/c1-2-7-18-12-8-11(9-15-10-12)14(17)13-5-3-4-6-16-13/h8-10,13,16H,2-7H2,1H3
InChIKeyARWHDEIALDDRTB-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.20
Rot. Bonds5

About piperidin-2-yl-(5-propoxy-3-pyridinyl)methanone

piperidin-2-yl-(5-propoxy-3-pyridinyl)methanone (PubChem CID 116547773) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is piperidin-2-yl-(5-propoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Namepiperidin-2-yl-(5-propoxy-3-pyridinyl)methanone
PubChem CID116547773
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namepiperidin-2-yl-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)C2CCCCN2)c1
InChIInChI=1S/C14H20N2O2/c1-2-7-18-12-8-11(9-15-10-12)14(17)13-5-3-4-6-16-13/h8-10,13,16H,2-7H2,1H3
InChIKeyARWHDEIALDDRTB-UHFFFAOYSA-N
XLogP2.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-difluorocyclohexyl)-(5-propoxy-3-pyridinyl)methanone
CID 105124282
(2-ethyl-4-propoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82552016
(5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone
CID 116547444
2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone
CID 116709111
(1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone
CID 116747881
2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 116680587
2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 103446165
2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
CID 112574299
propyl piperidine-2-carboxylate
CID 43248024
(3,5-dimethylphenyl)-piperidin-2-ylmethanone
CID 82285234
(3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone
CID 95442884
2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone
CID 116554859

Frequently Asked Questions

What is the IUPAC name of piperidin-2-yl-(5-propoxy-3-pyridinyl)methanone?
The IUPAC name of piperidin-2-yl-(5-propoxy-3-pyridinyl)methanone (CID 116547773) is piperidin-2-yl-(5-propoxy-3-pyridinyl)methanone.
What is the SMILES notation for piperidin-2-yl-(5-propoxy-3-pyridinyl)methanone?
The canonical SMILES for piperidin-2-yl-(5-propoxy-3-pyridinyl)methanone is CCCOc1cncc(C(=O)C2CCCCN2)c1.
What is the InChIKey of piperidin-2-yl-(5-propoxy-3-pyridinyl)methanone?
The InChIKey is ARWHDEIALDDRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-7-18-12-8-11(9-15-10-12)14(17)13-5-3-4-6-16-13/h8-10,13,16H,2-7H2,1H3.
What are the key properties of piperidin-2-yl-(5-propoxy-3-pyridinyl)methanone?
piperidin-2-yl-(5-propoxy-3-pyridinyl)methanone has a molecular weight of 248.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-2-yl-(5-propoxy-3-pyridinyl)methanone is sourced from PubChem (CID 116547773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).